Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis and Characterization
bond | length (Å) | bond | length (Å) | bond | length (Å) |
---|---|---|---|---|---|
C11–C12 | 1.330(6) | C14–S4 | 1.761(5) | N1–Zn1 | 2.052(5) |
C11–S1 | 1.774(4) | C15–C16 | 1.345(6) | N2–Zn1 | 2.351(3) |
C12–S2 | 1.720(4) | C15–S6 | 1.743(4) | Cl1–Zn1 | 2.2345(13) |
C13–C14 | 1.340(5) | C15–S3 | 1.769(4) | Zn1–Cl1 i | 2.2345(13) |
C13–S2 | 1.756(4) | C16–S5 | 1.742(4) | Zn1–N2 i | 2.351(3) |
C13–S1 | 1.759(4) | C18–S5 | 1.794(5) | H10–Cl1 i | 3.1536(15) |
C14–S3 | 1.758(4) | N1–C1i | 1.342(5) | Cl1–Cl1 i | 3.8584(19) |
angle | value (°) | angle | value (°) | angle | value (°) |
N1–Zn1–Cl1 | 120.30(4) | N1–Zn1–N2 i | 74.31(9) | Cl1–Zn1–N2 | 97.74(9) |
N1–Zn1–Cl1 i | 120.30(4) | Cl1–Zn1–N2 i | 97.94(9) | Cl1 i–Zn1–N2 | 97.94(9) |
Cl1–Zn1–Cl1 i | 119.40(9) | N1–Zn1–N2 | 74.31(9) | N2 i–Zn1–N2 | 148.63(18) |
2.2. UV-Vis Spectroscopy
2.3. Electrochemistry
3. Experimental Section
3.1. X-Ray Structure Determinations
complex | 4 |
---|---|
empirical formula | C35H27Cl2N3S12Zn |
fw | 1010.59 |
T (K) | 293(2) |
wavelength (Å) | 0.71073 |
crystal system | monoclinic |
space group | C2/c |
unit cell dimensions: | |
a (Å) | 11.8152(16) |
b (Å) | 10.100(2) |
c (Å) | 35.579(6) |
α(deg) | 90 |
β(deg) | 98.111(13) |
γ(deg) | 90 |
V (Å3) | 4202.2(12) |
Z | 4 |
Dc (g cm−3) | 1.597 |
abs coeff (mm−1) | 1.340 |
θ range for data collection (deg) | 1.16–27.54 |
reflections collected | 4760 |
indep reflns | 3371 |
completeness (%) | 98.5 |
data/restraints/param | 4760/0/243 |
GOF on F 2 | 1.197 |
final R indices [I > 2σ(I)] | R1 = 0.0597, wR2 = 0.1051 |
R indices (all data) | R1 = 0.0968, wR2 = 0.1227 |
largest diff. peak and hole (e Å−3) | 0.394 and −0.416 |
3.2. General
3.3. Synthesis of (1-(6,7-Dimethyldithio-tétrathiafulvalene)-4-nitro-benzene) (1)
3.4. Synthesis of (4-(6,7-Dimethyldithio-tétrathiafulvalene)-aniline) (2)
3.5. (2,6-Bis(4-(4',5'-bis(Methylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-yl)aniline)-iminopyridine) (3)
3.6. (2,6-Bis(4-(4',5'-bis(methylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-yl)aniline)-iminopyridine) Zinc Chloride (4)
4. Conclusions
Acknowledgments
Conflict of Interest
References
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Nita, G.; Branzea, D.; Pop, F.; El-Ghayoury, A.; Avarvari, N. Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies. Crystals 2012, 2, 338-348. https://doi.org/10.3390/cryst2020338
Nita G, Branzea D, Pop F, El-Ghayoury A, Avarvari N. Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies. Crystals. 2012; 2(2):338-348. https://doi.org/10.3390/cryst2020338
Chicago/Turabian StyleNita, Gabriela, Diana Branzea, Flavia Pop, Abdelkrim El-Ghayoury, and Narcis Avarvari. 2012. "Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies" Crystals 2, no. 2: 338-348. https://doi.org/10.3390/cryst2020338